SCHEMBL4089302

SCHEMBL4089302

O=C(OCc1ccccc1)N1CC2C(C1)C2Nc1ncc2cc(-c3ccccc3Cl)c(=O)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
GRIN2B Q13224 3/20 0.36
LCK P06239 1/20 0.36
MAPK14 Q16539 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
SYK P43405 1/20 0.35
ENPP2 Q13822 2/20 0.35
ATXN2 Q99700 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4084679 0.85 SIK2 (0.41) KDRSIK2LCKMAPK14ABL1
SCHEMBL4088381 0.84 MAPK14 (0.55) SIK2LCKMAPK14ABL1
SCHEMBL4094855 0.83 LCK (0.44) SIK2GRIN2BLCKMAPK14ABL1
SCHEMBL4089687 0.81 MAPK14 (0.41) SIK2GRIN2BLCKMAPK14ABL1
SCHEMBL13849317 0.75 LCK (0.59) SIK2LCKMAPK14ABL1
SCHEMBL4091218 0.75 MAPK14 (0.46) TGM2TGM1SIK2LCKMAPK14
SCHEMBL13850442 0.74 MAPK14 (0.43) SIK2LCKMAPK14JAK1ABL1
SCHEMBL4084196 0.74 LCK (0.48) SIK2LCKMAPK14ABL1
SCHEMBL6335874 0.71 MAPK14 (0.48) SIK2LCKMAPK14ABL1
SCHEMBL6344400 0.70 MAPK14 (0.49) SIK2LCKMAPK14ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US claimed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 KDR 1701/4885TGM2 2263/4885TGM1 2332/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.